(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole

C15H16N2S — CID 9420172

IUPAC(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC1=C(c2ccccc2)N2C(=N[C@@H]3CCCC[C@H]32)S1
InChIInChI=1S/C15H16N2S/c1-2-6-11(7-3-1)14-10-18-15-16-12-8-4-5-9-13(12)17(14)15/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13-/m1/s1
InChIKeyHLBKHUOJCKXXGR-CHWSQXEVSA-N
MW256.37 g/mol
LogP3.71
Rot. Bonds1

About (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole

(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 9420172) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID9420172
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC Name(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC1=C(c2ccccc2)N2C(=N[C@@H]3CCCC[C@H]32)S1
InChIInChI=1S/C15H16N2S/c1-2-6-11(7-3-1)14-10-18-15-16-12-8-4-5-9-13(12)17(14)15/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13-/m1/s1
InChIKeyHLBKHUOJCKXXGR-CHWSQXEVSA-N
XLogP3.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 9420172) is (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole is C1=C(c2ccccc2)N2C(=N[C@@H]3CCCC[C@H]32)S1.
What is the InChIKey of (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is HLBKHUOJCKXXGR-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H16N2S/c1-2-6-11(7-3-1)14-10-18-15-16-12-8-4-5-9-13(12)17(14)15/h1-3,6-7,10,12-13H,4-5,8-9H2/t12-,13-/m1/s1.
What are the key properties of (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole?
(4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 256.37 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1-phenyl-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 9420172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).